1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile

C13H18N4O — CID 133469208

IUPAC1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile
SMILESCC(C)Oc1nccnc1N1CCC(C#N)CC1
InChIInChI=1S/C13H18N4O/c1-10(2)18-13-12(15-5-6-16-13)17-7-3-11(9-14)4-8-17/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyUFOXRSOQYMDIGA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.00
Rot. Bonds3

About 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile

1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile (PubChem CID 133469208) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile
PubChem CID133469208
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile
SMILESCC(C)Oc1nccnc1N1CCC(C#N)CC1
InChIInChI=1S/C13H18N4O/c1-10(2)18-13-12(15-5-6-16-13)17-7-3-11(9-14)4-8-17/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyUFOXRSOQYMDIGA-UHFFFAOYSA-N
XLogP2.00
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile (CID 133469208) is 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile is CC(C)Oc1nccnc1N1CCC(C#N)CC1.
What is the InChIKey of 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile?
The InChIKey is UFOXRSOQYMDIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)18-13-12(15-5-6-16-13)17-7-3-11(9-14)4-8-17/h5-6,10-11H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile?
1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 133469208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).